2-methoxy-4-propylphenol

C10H14O2 — CID 17739

IUPAC2-methoxy-4-propylphenol
SMILESCCCc1ccc(O)c(OC)c1
InChIInChI=1S/C10H14O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h5-7,11H,3-4H2,1-2H3
InChIKeyPXIKRTCSSLJURC-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.35
Rot. Bonds3

About 2-methoxy-4-propylphenol

2-methoxy-4-propylphenol (PubChem CID 17739) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-methoxy-4-propylphenol.

Molecular Properties

Compound Name2-methoxy-4-propylphenol
PubChem CID17739
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-methoxy-4-propylphenol
SMILESCCCc1ccc(O)c(OC)c1
InChIInChI=1S/C10H14O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h5-7,11H,3-4H2,1-2H3
InChIKeyPXIKRTCSSLJURC-UHFFFAOYSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Eugenol
CID 3314
Ferulic Acid
CID 445858
Guaiacol
CID 460
Methyleugenol
CID 7127
Isoeugenol
CID 853433
Curcumin
CID 969516
4-tert-Butylcatechol
CID 7381
Tetrahydrocurcumin
CID 124072
(6)-Gingerol
CID 442793
Acetovanillone
CID 2214
Hydroxytyrosol
CID 82755
Homovanillic Acid
CID 1738

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-propylphenol?
The IUPAC name of 2-methoxy-4-propylphenol (CID 17739) is 2-methoxy-4-propylphenol.
What is the SMILES notation for 2-methoxy-4-propylphenol?
The canonical SMILES for 2-methoxy-4-propylphenol is CCCc1ccc(O)c(OC)c1.
What is the InChIKey of 2-methoxy-4-propylphenol?
The InChIKey is PXIKRTCSSLJURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h5-7,11H,3-4H2,1-2H3.
What are the key properties of 2-methoxy-4-propylphenol?
2-methoxy-4-propylphenol has a molecular weight of 166.22 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-propylphenol is sourced from PubChem (CID 17739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).